2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide

C19H26N4O — CID 113044086

IUPAC2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C19H26N4O/c1-3-16(4-2)19(24)21-18-13-12-17(22-23-18)20-14-8-11-15-9-6-5-7-10-15/h5-7,9-10,12-13,16H,3-4,8,11,14H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyJRKZGKRHZXHXOM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.90
Rot. Bonds9

About 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide

2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide (PubChem CID 113044086) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
PubChem CID113044086
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C19H26N4O/c1-3-16(4-2)19(24)21-18-13-12-17(22-23-18)20-14-8-11-15-9-6-5-7-10-15/h5-7,9-10,12-13,16H,3-4,8,11,14H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyJRKZGKRHZXHXOM-UHFFFAOYSA-N
XLogP3.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
CID 113044637
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide
CID 113044121
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
2-ethyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]butanamide
CID 113039400
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113044083
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
2-ethyl-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113043185
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
2-phenyl-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037818

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide (CID 113044086) is 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide is CCC(CC)C(=O)Nc1ccc(NCCCc2ccccc2)nn1.
What is the InChIKey of 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide?
The InChIKey is JRKZGKRHZXHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-16(4-2)19(24)21-18-13-12-17(22-23-18)20-14-8-11-15-9-6-5-7-10-15/h5-7,9-10,12-13,16H,3-4,8,11,14H2,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide?
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide has a molecular weight of 326.44 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113044086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).